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CHEMBRIDGE-ZINC02819373

 MMsINC code: MMs00718544
Type: Neutral
Formula: C16H27NO3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CCCCCCC1
InChI:   InChI=1/C16H27NO3/c18-15(13-10-6-7-11-14(13)16(19)20)17-12-8-4-2-1-3-5-9-12/h12-14H,1-11H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=75.4249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.396 g/mol  logS: -3.35631  SlogP: 3.1065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104392  Sterimol/B1: 3.45697  Sterimol/B2: 4.45376  Sterimol/B3: 4.81584
  Sterimol/B4: 4.83272  Sterimol/L: 14.5562 
 
 Surface and Volume Properties
  Accessible surface: 513.231  Positive charged surface: 386.714  Negative charged surface: 126.517  Volume: 285.375
  Hydrophobic surface: 415.557  Hydrophilic surface: 97.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00718545
CHEMBRIDGE-ZINC02819373